Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.85 |
| ▸ | BACE1 | P56817 | 3/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8312224 | 1.00 | KDM4E (0.85) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8311833 | 1.00 | KDM4E (0.85) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8312227 | 1.00 | KDM4E (0.85) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8312631 | 1.00 | KDM4E (0.85) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8309456 | 1.00 | KDM4E (0.85) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8308227 | 0.99 | KDM4E (0.84) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8312207 | 0.97 | KDM4E (0.80) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8312044 | 0.96 | KDM4E (0.79) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8310903 | 0.92 | KDM4E (0.74) | KDM4EBACE1TDP1ALDH1A1TSHR | |
| SCHEMBL8305806 | 0.89 | KDM4E (0.71) | KDM4EBACE1TDP1ALDH1A1TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004078731-A1 | QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) | 2004-09-16 | — | — | WO | disclosed |